IDI1_023699
TL;DR: IDI1_023699 (CAS 573697-69-5) is a chemical compound with molecular formula C20H20BrN5O2S and molecular weight 473.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfonyl-1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine
Also Known As: IDI1_023699, BRD-K97367734-001-01-3, 2-benzylsulfonyl-1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine, N-{(Z)-[(2-bromophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-1-phenylmethanesulfonamide, N-{[(2-bromophenyl)amino][(4,6-dimethyl-2-pyrimidinyl)amino]methylene}-1-phenylmethanesulfonamide
| Molecular Formula | C20H20BrN5O2S |
|---|---|
| Molecular Weight | 473.05 g/mol |
| LogP | 4.26594 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.05212 |
| Heavy Atoms | 29 |
| Complexity | 1114.3683 |
Chemical Identifiers
| CAS Number | 573697-69-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)CC2=CC=CC=C2)/NC3=CC=CC=C3Br)C |
Product Overview
IDI1_023699 (CAS 573697-69-5), with molecular formula C20H20BrN5O2S and molecular weight 473.05 g/mol. IUPAC: 2-benzylsulfonyl-1-(2-bromophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine.
Chemical Property Profile of IDI1_023699
Property Insights of IDI1_023699
The XLogP value of 4.26594 indicates that IDI1_023699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_023699. Following Lipinski's Rule of Five, IDI1_023699 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IDI1_023699?
The CAS number of IDI1_023699 is 573697-69-5.
What is the molecular formula of IDI1_023699?
The molecular formula of IDI1_023699 is C20H20BrN5O2S.
What is the molecular weight of IDI1_023699?
The molecular weight of IDI1_023699 is 473.05 g/mol.
Where can I buy IDI1_023699?
You can request a quote for IDI1_023699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_023699?
Yes, KEHONG BIO provides custom synthesis services for IDI1_023699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.